SCHEMBL7911902

SCHEMBL7911902

CNC(=O)OCN[C@@H](CCCCNC(C)=NO)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 10/20 0.40
TGM2 P21980 5/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
SIRT2 Q8IXJ6 1/20 0.34
SIRT1 Q96EB6 1/20 0.34
ALB P02768 2/20 0.33
CPB1 P15086 1/20 0.32
CPB2 Q96IY4 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7911894 1.00 FOLH1 (0.40) FOLH1TGM2SMN1; SMN2SIRT2SIRT1
SCHEMBL8707548 0.89 FOLH1 (0.40) FOLH1TGM2SMN1; SMN2SIRT2SIRT1
SCHEMBL7901774 0.88 FOLH1 (0.43) FOLH1TGM2SMN1; SMN2SIRT2SIRT1
SCHEMBL7224812 0.88 FOLH1 (0.43) FOLH1TGM2SMN1; SMN2SIRT2SIRT1
SCHEMBL7912005 0.87 FOLH1 (0.45) FOLH1TGM2SMN1; SMN2ALB
SCHEMBL7911993 0.87 FOLH1 (0.45) FOLH1TGM2SMN1; SMN2ALB
SCHEMBL7909235 0.85 FOLH1 (0.43) FOLH1SMN1; SMN2
SCHEMBL7909229 0.85 FOLH1 (0.43) FOLH1SMN1; SMN2
SCHEMBL7218185 0.81 FOLH1 (0.39) FOLH1TGM2SMN1; SMN2SIRT2SIRT1
SCHEMBL7908742 0.80 FOLH1 (0.41) FOLH1TGM2SIRT2SIRT1CPB1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6207708-B1 FOR THERAPY AND PROPHYLAXIS OF AUTOIMMUNE AND/OR INFLAMMATORY CONDITIONS AFFECTING THE JOINTS SUCH AS ARTHRITIS, AND INFLAMMATORY BOWEL DISEASE, CARDIVASCULAR ISCHEMIA, DIABETES, CONGESTIVE HEART FAILURE, MYOCARDITIS, ATHEROSCLEROSIS, G. D. SEARLE & COMPANY 2001-03-27 US claimed
EP-0885188-B1 HYDROXYAMIDINO DERIVATIVES USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS SEARLE & CO (US) 2000-09-27 EP claimed
WO-1997032844-A9 HYDROXYAMIDINO DERIVATIVES USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS 1997-12-24 WO disclosed